2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

C11H16FN3S2 — CID 113299823

IUPAC2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(C)c(F)c(N)n1
InChIInChI=1S/C11H16FN3S2/c1-3-7-9(17-5-4-16-7)11-14-6(2)8(12)10(13)15-11/h7,9H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyZKUYBFYWYGMKED-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 113299823) has the molecular formula C11H16FN3S2 and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID113299823
Molecular FormulaC11H16FN3S2
Molecular Weight273.40 g/mol
Exact Mass273.08
IUPAC Name2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCC1SCCSC1c1nc(C)c(F)c(N)n1
InChIInChI=1S/C11H16FN3S2/c1-3-7-9(17-5-4-16-7)11-14-6(2)8(12)10(13)15-11/h7,9H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyZKUYBFYWYGMKED-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 113299823) is 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is CCC1SCCSC1c1nc(C)c(F)c(N)n1.
What is the InChIKey of 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is ZKUYBFYWYGMKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3S2/c1-3-7-9(17-5-4-16-7)11-14-6(2)8(12)10(13)15-11/h7,9H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4-dithian-2-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 113299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).